2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium

C14H30NO+ — CID 59704160

IUPAC2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium
SMILESCC1(C)OC(C)(C)C(C)(C)[N+](C)(C)C1(C)C
InChIInChI=1S/C14H30NO/c1-11(2)13(5,6)16-14(7,8)12(3,4)15(11,9)10/h1-10H3/q+1
InChIKeyZZFCMORKHDMUMV-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.21
Rot. Bonds

About 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium

2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium (PubChem CID 59704160) has the molecular formula C14H30NO+ and a molecular weight of 228.40 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium
PubChem CID59704160
Molecular FormulaC14H30NO+
Molecular Weight228.40 g/mol
Exact Mass228.23
IUPAC Name2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium
SMILESCC1(C)OC(C)(C)C(C)(C)[N+](C)(C)C1(C)C
InChIInChI=1S/C14H30NO/c1-11(2)13(5,6)16-14(7,8)12(3,4)15(11,9)10/h1-10H3/q+1
InChIKeyZZFCMORKHDMUMV-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9-pentaoxecane
CID 160795972
1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 136575877
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2,2,3,3,5,5,6,6-octamethyl-4-propan-2-ylmorpholine
CID 71273450
methyl 3-(2,3,3-trimethyloxiran-2-yl)propanoate
CID 11008390
2,2,3,3,4-pentamethyl-4-[6-(2,3,3,4,4-pentamethyloxetan-2-yl)hexyl]oxetane
CID 59672090
3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane
CID 20672934
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
CID 58862900
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium (CID 59704160) is 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium is CC1(C)OC(C)(C)C(C)(C)[N+](C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium?
The InChIKey is ZZFCMORKHDMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO/c1-11(2)13(5,6)16-14(7,8)12(3,4)15(11,9)10/h1-10H3/q+1.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium?
2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium has a molecular weight of 228.40 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decamethylmorpholin-4-ium is sourced from PubChem (CID 59704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).